SYMPOSIUM OF CRYSTALLOGRAPHY AND MINERALOGY OF IRAN | Year:2016 | دوره:23 |Papers Count:20

IN THIS RESEARCH, SYNTHESIS, CHARACTERIZATION AND X-RAY CRYSTAL STRUCTURE OF COMPLEX [(C6H5) 3P] 2PDCL2 ARE DESCRIBED. THIS COMPLEX WAS FULLY CHARACTERIZED BY ELEMENTAL ANALYSIS (CHN), IR, 1H-, 31P- AND 13C NMR TECHNIQUES. IN ADDITION, THE CRYSTAL STRUCTURE OF [(C6H5) 3P] 2PDCL2 WAS DETERMINED BY SINGLE-CRYSTAL X-RAY DIFFRACTION ANALYSIS. IN THE STRUCTURE, THE GEOMETRY AROUND PALLADIUM ATOM IS A SLIGHTLY DISTORTED SQUARE-PLANAR. SUITABLE YELLOW CRYSTALS FOR X-RAY ANALYSIS WERE OBTAINED BY RECRYSTALLIZATION OF THE COMPLEX IN DICHLOROMETHANE/DIETHYL ETHER 1: 1.

A NEW SCHIFF BASE LIGAND CONTAINING NON DONOR ATOMS OF SULFIDE WAS DESIGNED AND SYNTHESIZED BY THE REACTION OF 2-HYDROXY-4-METHOXYBENZALDEHYDE WITH CYSTEAMINE IN 1: 1 MOLAR RATIO IN METHANOLIC SOLUTION. THE SCHIFF BASE LIGAND HAVE BEEN CHARACTERIZED BY FT-IR, 1H NMR, UV/VIS SPECTROSCOPIES, ELEMENTAL ANALYSIS AND CONDUCTOMETRY. THE CRYSTAL STRUCTURE OF THE SCHIFF BASE LIGAND HAS BEEN DETERMINED BY SINGLE CRYSTAL X-RAY DIFFRACTION. THIS SCHIFF BASE LIGAND CRYSTALLIZES IN MONOCLINIC SYSTEM WITH SPACE GROUP P21 AND CELL PARAMETERS CONTAINING: A=5.1012 (10), B=10.827 (2), C=18.616 (4) AND V=1019.1 (4) ANG3, Z=2, F (000)=444 AND A=90 DEG, B=97.61 (3) DEG, G=90 DEG.

A NOVEL CO (II) COMPLEX OF PHENANTHRIDINE (PHEND) LIGAND, COBALT (II) DICHLOROPHENANTHRIDINE, [COCL2 (PHEND)2] HAS BEEN SYNTHESIZED FROM THE REACTION OF COCL2 WITH PHEND, AND THEIR STRUCTURES WERE STUDIED BY THE SINGLE-CRYSTAL X-RAY DIFFRACTION METHOD. [COCL2 (PHEND) 2] CRYSTALLIZES IN THE SPACE GROUP P21/C OF THE MONOCLINIC SYSTEM WITH A=9.8653 (16) Å, B=16.939 (2) Å, C=13.5957 (18) Å AND Z=4. THERE ARE TWO MOLECULES OF THE COMPLEX IN THE ASYMMETRIC UNITS AND IN BOTH MOLECULES, THE GEOMETRY AROUND COBALT (II) CENTERS IS DISTORTED TETRAHEDRAL, FORMED BY TWO NITROGEN ATOM OF TWO PHEND LIGANDS AND TWO CHLORIDE IONS.

THE CRYSTAL STRUCTURE OF [CO (DIPIC) 2MN(O)2] N, WHERE DIPIC IS PYRIDINE-2, 6-DICARBOXYLIC ACID, WAS CHARACTERIZED USING SINGLE-CRYSTAL X-RAY DIFFRACTION METHOD, (SC-XRD). THE RED CRYSTALS OF THIS POLYMER, WHICH ARE SUITABLE FOR X-RAY CRYSTALLOGRAPHY, WAS SYNTHESIZED VIA SIMPLE MIXING OF PRECURSORS. THIS POLYMER HAS A MONOCLINIC CRYSTAL SYSTEM (Z=4) AND SPACE GROUP OF CC WITH A=14.948 (3) Å, B=12.460 (3) Å, C=8.6697 (17) Å, B=93.18 (3) O, AND V=1612.3 (6) Å 3.

COBALT BASED AMORPHOUS ALLOYS, IN PARTICULAR COFEBSI, HAVE BEEN WIDELY USED TO STUDY THE RESPONSE OF ACIMPEDANCE TO THE EXTERNAL DC MAGNETIC FIELD, I.E., THE SO CALLED GIANT MAGNETO IMPEDANCE (GMI) EFFECT. THE UTILITY OF COFEBSI IN DIFFERENT APPLICATIONS SUCH AS FIELD-SENSITIVE SENSORS IS KNOWN AND PRACTICED. DESPITE THE WEALTH OF EXPERIMENTAL STUDIES ON GMI PROPERTIES OF COFEBSI ALLOYS, NO COMPUTATIONAL APPROACH HAS YET ADDRESSED ELECTRONIC AND MAGNETIC PROPERTIES OF THESE SYSTEMS AT NANOSCALE. IN THIS STUDY, WE HAVE COMPUTED ELECTRONIC AND MAGNETIC PROPERTIES OF AMORPHOUS COFEBSI ALLOY USING A COMBINED MOLECULAR DYNAMICS (MD) AND DENSITY FUNCTIONAL THEORY (DFT) APPROACHES. MD IS USED TO PROVIDE A PHYSICALLY REALISTIC SAMPLING OF DIFFERENT ATOMIC CONFIGURATIONS WHILE THE PROPERTIES SUCH AS DIPOLE MOMENTS AND MAGNETIC SUSCEPTIBILITIES ARE COMPUTED USING DFT. OUR STUDY SHOWS A WIDE SPECTRUM OF ELECTRONIC AS WELL AS MAGNETIC PROPERTIES FOR NANOCLUSTERS OF DIFFERENT SIZES WHICH COULD AIM FUTURE EXPERIMENTAL STUDIES FOR RATIONAL DESIGN OF CO-BASED FERROMAGNETIC ALLOYS.

THE NEW SCHIFF BASE LIGAND WAS SYNTHESIZED BY THE REACTION CONDENSATION OF 2-HYDROXY-1-NAPHTHALDEHYDE AND 2-AMINOETHANETHIOLE IN AN ETHANOLIC SOLUTION. THIS PRODUCT WAS CHARACTERIZED BY FT-IR, UV/VIS, 1H NMR, FLUORESCENCE SPECTROSCOPY, ELEMENTAL ANALYSIS AND CONDUCOMETRY. FURTHERMORE, THE CRYSTAL STRUCTURE OF THE SCHIFF BASE LIGAND WAS DETERMINED BY SINGLE CRYSTAL X-RAY DIFFRACTION. ACCORDING TO THE CRYSTAL STRUCTURE, THE SCHIFF BASE LIGAND WAS CONTAINED DISULFIDE BOND. THIS SCHIFF BASE LIGAND CRYSTALLIZES IN MONOCLINIC SYSTEM WITH SPACE GROUP P2/C AND CELL PARAMETERS CONTAINING: A=20.970 (4), B=6.6964 (13). C=8.0557 (16) AND V=1130.5 (4) ANG3, Z=2, F (000)=4.

MERCURY (II) BOROMID REACT WITH A PHOSPHONIUM SALT COMPUND OF THE TYPE [PHCH2COOCH2P (PH) 3] BR (1) IN METHANOL AS A SOLVENT IN EQUIMOLAR RATIOS TO GIVE A COMPOUND OF THE FORMULA [PHCH2COOCH2P (PH) 3] 2 [HG2BR6] (2). CHARACTERIZATION OF THE OBTAINED COMPOUND WAS PERFORMED BY ELEMENTAL ANALYSIS, IR, 1H, 13C AND 31P NMR SPECTROSCOPY. ALSO THE STRUCTURE OF 2 WAS DETERMINED BY X-RAY CRYSTALLOGRAPHY.

FROM THE REACTION OF PHOSPHORUS COMPOUND 1, 2-BIS (DIPHENYLPHOSPHINO) ETHANE WITH PALLADIUM (II) BROMIDE IN TOLUENE AS A SOLVENT IN EQUIMOLAR RATIOS TO GIVE A COMPOUND OF THE FORMULA [PD (DPPE) BR2]. CHARACTERIZATION OF THE OBTAINED COMPOUND WAS PERFORMED BY ELEMENTAL ANALYSIS, IR, 1H, 13C AND 31P NMR SPECTROSCOPY. ALSO THE STRUCTURE OF 2 WAS DETERMINED BY X-RAY CRYSTALLOGRAPHY. THE COMPLEX CRYSTALLIZES IN THE SPACE GROUP MONOCLINIC, P21/C, IT IS NOW CLEAR THAT THE PD (II) ADOPTS A DISTORTED SQUARE PLANAR BY FOUR-COORDINATE GEOMETRY INVOLVING TWO BROMO LIGANDS AND TWO PHOSPHINE GROUPS.

THE CRYSTAL STRUCTURE OF DICHOLRO (PHENYLPYRIDYLFORMAMIDINE) ZINC (II), [ZN (HPHPYF) CL2], HAS BEEN DETERMINED BY SINGLE-CRYSTAL X-RAY DIFFRACTION METHOD. THIS COMPLEX HAS A ORTHORHOMBIC CRYSTAL SYSTEM (Z=4) AND SPACE GROUP OF P 21/C WITH A=13.434 (2) A, B=12.787 (2) A, C=7.913 (13) A, B=90.101 (3) O, AND V=1354.07 (4) A3. ORTEP OF THE COMPLEX SHOWS THAT THE GEOMETRY ABOUT THE ZN (II) IS DISTORTED TETRAHEDRAL. THE ZN-N BOND LENGTHS ARE IN THE RANGE OF 1.97 (4) -2.01 (4) A AND, COMPARABLE TO THOSE FOUND FOR THE STRUCTURES OF (CARBONATO) POLYPYRIDYL CO (III) COMPLEXES.

A NEW COMPLEX OF FORMULA [NI (HPHPYF) CL2] (HPHPYF=PHENYLPYRIDYLFORMAMIDINE) HAS BEEN SYNTHESIZED AND THE CRYSTAL STRUCTURE DETERMINED BY X-RAY DIFFRACTION METHODS. THE COMPLEX CRYSTALLIZES IN THE MONOCLINIC SPACE GROUP P21/C WITH A=13.304 (2) A, B=12.789 (2) A, C=7.767 (13) A, A=90 (5) °, B=94.101 (3) O, V=1378.6 (4) A3, AND Z=4. THE STRUCTURE OF THIS COMPLEX IS MONONUCLEAR WITH THE NICKEL (II) ION TETRAHEDRALLY COORDINATED AND BOUND TO THE HPHPYF THROUGH THE NITROGEN ATOMS. THE NI-N BOND LENGTHS ARE IN THE RANGE OF 1.96-1.98 (4) A.

TWO NEW ZINC BIS (THIOSEMICARBAZONE) COMPLEXES HAVE BEEN SYNTHESIZED BY THE REACTION OF THE METAL ACETATES WITH H3L1 AND H3L2 LIGANDS AND CHARACTERIZED BY SINGLE-CRYSTAL X-RAY DIFFRACTION. BOTH OF THE COMPLEXES HAVE AN OVERALL NEUTRAL CHARGE WITH A TRIANIONIC LIGAND. THESES LIGANDS HAVING SNONS DONOR SEQUENCES, CAPABLE OF HOLDING TWO METAL IONS IN CLOSE PROXIMITY, THE COORDINATION SPHERE IS FORMED BY THE IMINE NITROGEN AND SULFUR ATOM, AND THE REMAINING POSITIONS, IN A SQUARE-BASED PYRAMID, ARE OCCUPIED BY THREE OXYGEN ATOMS DERIVED OF ETHER, ACETATE-BRIDGED AND ALKOXIDE-BRIDGED GROUPS. THE MOLECULAR STRUCTURE OF [ZN2L1 (CH3COO)]. ETOH IS SIMILAR TO [ZN2L2 (CH3COO)]. MEOH, WHICH SHOW BOTH OF METAL CENTERS ARE IN A SQUARE-BASED PYRAMID. UNIT CELL DIMENSIONS OF [ZN2L1 (CH3COO)]. ETOH AND [ZN2L2 (CH3COO)]. MEOH ARE A=10.3511 (5) Å, B=13.1247 (9) Å, C=14.7253 (5) Å, A=81.786 (4) O, B=85.567 (4) O, G=69.583° AND A=10.2695 (6) Å, B=13.4464 (7) Å, C= 14.3869 (7) Å, A=83.200 (4) O, B=86.968 (4) O, G=69.620 (5) O, RESPECTIVELY.

X-RAY CRYSTALLOGRAPHIC STUDIES LED TO THE DISCOVERY OF EVEN MORE EXOTIC TYPES OF BONDING IN INORGANIC CHEMISTRY, SUCH AZ METAL-METAL DOUBLE BONDS, METAL-METAL QUADRUPLE BONDS, AND THREE-CENTER, TWO-ELECTRON BONDS.THE CHEMISTRY OF VANADIUM (V) IS DOMINATED BY THE STABLE OXOVANADIUM CATION (VO+3) WHICH REMAINS INTACT DURING MANY REACTIONS. THE REDOX PROPERTIES OF VO (SALEN) IN ACETONITRYLE IN THE PRESENCE OF PERCHLORIC ACID AND PROVIDED EVIDENCE OF WHAT THEY TOOK TO BE THE DISPORTIONATION OF VO (SALEN) TO VO (SALEN)+. OXOVANADIUM (IV) DERIVATIVES HAVE BEEN USED AS CATALYSTS IN THE EPOXIDATION OF OLEFINS AND IN THE OXIDATION OF SULFIDES WITH PEROXIDES. IN THIS RESERCH THE LIGAND 4-HYDROXYBENZHYDRAZIDE AND 2- PYRIDINE CARBOXALDEHYDE (L) HAS BEEN PREPARED BY CONDENSATION OF 4-HYDROXYBENZHYDRAZIDE WITH 2- PYRIDINE CARBOXALDEHYDE RESPECTIVELY IN THE ABSOLUT ETHANOL AS SOLVENT. VO-COMPLEXE, VOL OF THISE LIGAND WERE SYNTHESIZED BY REACTIONS OF NH4VO3 WITH LIGAND. THE LIGAND AND ITS COMPLEXE WERE CHARACTERIZED BY X-RAY, FT-IR, UV-VIS, 1H-NMR, ANALYSE. AND AT LEAST CHEMICAL BEHEVIOR OF LIGAND AND ITS COMPLEX WERE HAVE BEEN INVESTIGATED.

ASYMMETRIC, POTENTIALLY TETRADENTATE LIGAND H2L1.2MEOH IS FORMED BY SUBSEQUENT CONDENSATION A 4- CHLOROPHENYL THIOSEMICARBAZIDE AND 4-BROMOPHENYL THIOSEMICARBAZIDE ON 2- [3- (2-FORMYL PHENOXY) PROPOXY] BENZALDEHYDE. THE MIXED BIS (THIOSEMICARBAZONE) AND ITS COPPER (II) COMPLEX HAVE BEEN CHARACTERIZED WITH X-RAY CRYSTALLOGRAPHY. LIGAND LOSES HYDRAZINIC HYDROGEN ATOMS UPON COORDINATION AND ACT AS DIANIONIC TETRADENTATE DONORS. IN [CUL1].MEOH COMPLEX METAL CENTER IS COORDINATED BY TWO IMINE NITROGEN ATOMS AND TWO SULFUR ATOMS WITH A DISTORTED SQUARE PLANAR COORDINATION GEOMETRY. UNIT CELL DIMENSIONS OF [CUL1].MEOH AND H2L1.2MEOH ARE A=19.107 (4) Å, B=9.110 (2) Å, C=19.966 (4) Å, A=90°, B=106.93 (2) °, G=90° AND A=9.2206 (6) Å, B=12.2704 (5) Å, C=30.985 (2) Å, A=90°, B=90O, G=90O, RESPECTIVELY.

A NEW DOUBLE SCHIFF BASE LIGAND CONTAINING 2-AMINOTHIOPHENOL WAS DESIGNED AND SYNTHESIZED BY THE REACTION OF 5-METHYL SALICYLIC ALDEHYDE WITH 2-AMINOTHIOPHENOL IN 1: 1 MOLAR RATIOIN METHANOLIC SOLUTION. THE SCHIFF BASE LIGAND HAVE BEEN CHARACTERIZED BY FT-IR, 1H NMR, UV/VIS SPECTROSCOPIES, ELEMENTAL ANALYSIS AND CONDUCTOMETRY. THE CRYSTAL STRUCTURE OF THE SCHIFF BASE LIGAND HAS BEEN DETERMINED BY SINGLE CRYSTAL X-RAY DIFFRACTION. THIS SCHIFF BASE LIGAND CRYSTALLIZES IN TRICLINIC SYSTEM WITH SPACE GROUP P-1 AND CELL PARAMETERS CONTAINING: A=9.3158 (19), B=11.937 (2), C=12.794 (3) AND V=1230.3 (5) ANG3, Z=2, F (000)=508 AND A=78.02 (3) DEG, B=68.69 (3) DEG, G=68.71 (3).

IN THIS WORK, STRUCTURAL PROPERTIES OF FE3O4 COMPOUND PREPARED BY CO-PRECIPITATION TECHNIQUE AND ANNEALED IN PRESENCE OF OXYGEN AT 200OC IS INVESTIGATED. THE STRUCTURAL CHARACTERIZATION OF FE3O4 NANO-PARTICLES USING X’PERT PACKAGE AND FULLPROF PROGRAM IS EVIDENCE FOR A CUBIC STRUCTURE (F D- 3M SPACE GROUP). THIS RESULT HAS BEEN CONFIRMED BY FTIR MEASUREMENT. IN ADDITION, A COMPARATIVE STUDY OF THE CRYSTALLITE SIZE OF THE COMPOUNDS OBTAINED FROM POWDER XRD IS REPORTED. THE WILLIAMSON-HALL ANALYSIS, SIZE-STRAIN PLOT AND HALDER-WAGNER METHODS WERE USED TO STUDY THE INDIVIDUAL CONTRIBUTIONS OF CRYSTALLITE SIZES AND LATTICE MICRO-STRAIN ON ISOTROPIC LINE BROADENING OF ALL THE REFLECTION PEAKS OF THE FE3O4 COMPOUND AND THE CRYSTALLITE SIZES RESULTS ARE COMPARED WITH THE SCHERER AND TEM METHODS. THE RESULTS SHOW THE H-W METHOD IS MORE ACCURATE, WITH ALL DATA POINTS TOUCHING THE FITTING LINE BETTER THAN THE OTHER METHODS. ALSO, THE CRYSTALLITE SIZE DH-W IS DIFFERENT TO THE PARTICLE SIZE DTEM DUE TO THE IRREGULAR SHAPE OF NANOPARTICLES.

TWO NEW ZINC BIS (THIOSEMICARBAZONE) COMPLEXES HAVE BEEN SYNTHESIZED BY THE REACTION OF THE METAL ACETATES WITH H3L1 AND H3L2 LIGANDS AND CHARACTERIZED BY SINGLE-CRYSTAL X-RAY DIFFRACTION. BOTH OF THE COMPLEXES HAVE AN OVERALL NEUTRAL CHARGE WITH A TRIANIONIC LIGAND. THESES LIGANDS HAVING SNONS DONOR SEQUENCES, CAPABLE OF HOLDING TWO METAL IONS IN CLOSE PROXIMITY, THE COORDINATION SPHERE IS FORMED BY THE IMINE NITROGEN AND SULFUR ATOM, AND THE REMAINING POSITIONS, IN A SQUARE-BASED PYRAMID, ARE OCCUPIED BY TRI OXYGEN ATOMS DERIVED OF ETHER, ACETATE-BRIDGED AND ALKOXIDE-BRIDGED GROUPS. THE MOLECULAR STRUCTURE OF [ZN2L1 (CH3COO)].ETOH IS SIMILAR TO [ZN2L2 (CH3COO)]. MEOH, WHICH SHOW BOTH OF METAL CENTERS ARE IN A SQUARE-BASED PYRAMID. UNIT CELL DIMENSIONS OF [ZN2L1 (CH3COO)].ETOH AND [ZN2L2 (CH3COO)]. MEOH ARE A=10.3511 (5) Å, B=13.1247 (9) Å, C=14.7253 (5) Å, A=81.786 (4) °, B=85.567 (4) °, G=69.583° AND A=10.2695 (6) Å, B=13.4464 (7) Å, C= 14.3869 (7) Å, A=83.200 (4) °, B=86.968 (4) °, G=69.620 (5) O, RESPECTIVELY.

FROM THE SUBSTITUTION REACTION OF TRIPHENYLPHOSPHINE AND 2-BROMO-4-HYDROXYBUTYRIC ACID G-LACTONE WITH MOLAR RATIO 1: 1 IN BENZENE SOLVENT AT ROOM TEMPERATURE, THE PHOSPHONIUM SALT CH3CO2CH2CH2CH2PPH3 +BR- HAS BEEN SYNTHESIZED. THE PREPARED PHOSPHONIUM SALT TREATED WITH PALLADIUM ACETATE (II) IN DICHLOROMETHANE AS A SOLVENT AT ROOM TEMPERATURE TO GIVE [CH3CO2CH2CH2CH2PPH3]2[PDBR4]. CHARACTERIZATION OF THE OBTAINED COMPOUND WAS PERFORMED BY ELEMENTAL ANALYSIS (CHN), IR, 1H-, 31P- AND 13C NMR TECHNIQUES AND X-RAY CRYSTALLOGRAPHY. IT IS CLEAR FROM CRYSTALLOGRAPHIC DATA THAT THIS PHOSPHONIUM COMPOUND CRYSTALLIZED IN MONOCLINIC CRYSTAL SYSTEM AND HAS SPACE GROUP P 21/C.

IN THIS RESERCH THE CRYSTALLINE SCHIFF-BASE COMPOUNDS ABN-4=L1 (ABN-4: 4- PYRIDINE CARBOXALDEHYDE AND 4-HYDROXYBENZHYDRAZIDE) AND ABN-25=L2 (ABN-25: 2-PYRIDINE CARBOXALDEHYDE AND 1, 2-DIPHENYLDIHYDRAZIDE) WAS SYNTHESIZED FROM CONDENSATION OF 2- PYRIDINE CARBOXALDEHYDE WITH 4-HYDROXYBENZHYDRAZIDE AND 1, 2- DIPHENYLDIHYDRAZIDE RESPECTIVELY IN METHANOL OR ETHANOL AS SOLVENT. THE CRYSTALS OF THESE COMPOUNDS THAT ARE BRIGHT YELLOW OR CLEAR YELLOW WERE INVESTIGATED WITH FT-IR, X-RAY, UV-VIS AND ELEMENTAL ANALYSIS.

ASYMMETRIC, POTENTIALLY TETRADENTATE LIGAND H2L1.2MEOH IS FORMED BY SUBSEQUENT CONDENSATION OF 4- CHLOROPHENYL THIOSEMICARBAZIDE AND 4-BROMOPHENYL THIOSEMICARBAZIDE ON 2- [3- (2-FORMYL PHENOXY) PROPOXY] BENZALDEHYDE. THE MIXED BIS (THIOSEMICARBAZONE) AND ITS COPPER (II) COMPLEX HAVE BEEN CHARACTERIZED WITH X-RAY CRYSTALLOGRAPHY. LIGAND LOSES HYDRAZINIC HYDROGEN ATOMS UPON COORDINATION AND ACT AS DIANIONIC TETRADENTATE DONORS. IN [CUL1].MEOH COMPLEX METAL CENTER IS COORDINATED BY TWO IMINE NITROGEN ATOMS AND TWO SULFUR ATOMS WITH A DISTORTED SQUARE PLANAR COORDINATION GEOMETRY. UNIT CELL DIMENSIONS OF [CUL1].MEOH AND H2L1.2MEOH ARE A=19.107 (4) Å, B=9.110 (2) Å, C=19.966 (4) Å, A=90 O, A=106.93 (2) O, G=90 O AND A=9.2206 (6) Å, B=12.2704 (5) Å, C=30.985 (2) Å, A=90 O, B=90 O, G=90O, RESPECTIVELY.

THE COMPLEX OF RH (III), [RH (PY) 2 (CH3CN) CL3], (PY=PYRIDINE) HAS BEEN SYNTHESIZED AND CHARACTERIZED. THE STRUCTURE OF THE COMPLEX HAS BEEN DETERMINED BY X-RAY DIFFRACTION (MONOCLINIC, P21/C, Z=4), A=7.6268 (15) Å, B=27.525 (6) Å, C=7.7125 (15) Å, A=90O, V=1478.3 (6) Å3 AND REVEALS THAT THE COMPLEX IS A DISTORTED OCTAHEDRON WITH TWO PY RINGS ARE ROUGHLY PERPENDICULAR TO EACH OTHER. THE BOND LENGTHS OF RH (1) -N ARE IN THE RANGE OF 2.0037 (19) - 2.0555 (19) Å AND THE BOND LENGTH OF RH (1) –CL ARE (2.3355 (7) - 2.3425 (7) Å.